CHEBI:168608 - PS(14:0/12:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PS(14:0/12:0)
ChEBI ID CHEBI:168608
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H62NO10P
Net Charge 0
Average Mass 651.819
Monoisotopic Mass 651.41113
InChI InChI=1S/C32H62NO10P/c1-3-5-7-9-11-13-14-16-17-19-21-23-30(34)40-25-28(26-41-44(38,39)42-27-29(33)32(36)37)43-31(35)24-22-20-18-15-12-10-8-6-4-2/h28-29H,3-27,33H2,1-2H3,(H,36,37)(H,38,39)/t28-,29+/m1/s1
InChIKey IDOKDSPXZQQEDC-WDYNHAJCSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via phosphatidyl-L-serine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PS(14:0/12:0) (CHEBI:168608) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[[(2R)-2-dodecanoyloxy-3-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xref Database
LMGP03010931 LIPID MAPS
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